(4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate

C22H25N7O4 — CID 123423572

IUPAC(4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
SMILESCn1nnnc1C(=NOCc1cccc(NC(=O)OC2(C)CCOCC2)n1)c1ccccc1
InChIInChI=1S/C22H25N7O4/c1-22(11-13-31-14-12-22)33-21(30)24-18-10-6-9-17(23-18)15-32-26-19(16-7-4-3-5-8-16)20-25-27-28-29(20)2/h3-10H,11-15H2,1-2H3,(H,23,24,30)
InChIKeyNEMOPUUTBQFSPQ-UHFFFAOYSA-N
MW451.49 g/mol
LogP2.69
Rot. Bonds7

About (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate

(4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate (PubChem CID 123423572) has the molecular formula C22H25N7O4 and a molecular weight of 451.49 g/mol. Its IUPAC name is (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name(4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
PubChem CID123423572
Molecular FormulaC22H25N7O4
Molecular Weight451.49 g/mol
Exact Mass451.20
IUPAC Name(4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
SMILESCn1nnnc1C(=NOCc1cccc(NC(=O)OC2(C)CCOCC2)n1)c1ccccc1
InChIInChI=1S/C22H25N7O4/c1-22(11-13-31-14-12-22)33-21(30)24-18-10-6-9-17(23-18)15-32-26-19(16-7-4-3-5-8-16)20-25-27-28-29(20)2/h3-10H,11-15H2,1-2H3,(H,23,24,30)
InChIKeyNEMOPUUTBQFSPQ-UHFFFAOYSA-N
XLogP2.69
TPSA125.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(1-ethoxycyclopropyl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89272899
2-(1,3-dioxan-2-yl)propan-2-yl N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89272891
N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 59582521
5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide
CID 89272898
3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272926
5-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]pentanamide
CID 89272878
(2E)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-propoxyiminopropanamide
CID 58567422
2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272897
2-ethoxy-2-ethylsulfanyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272788
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl] N-aminocarbamate
CID 150170848
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine
CID 86653133
3-ethoxy-2-methyl-3-methylsulfanyl-N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 123966477

Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate?
The IUPAC name of (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate (CID 123423572) is (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate?
The canonical SMILES for (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate is Cn1nnnc1C(=NOCc1cccc(NC(=O)OC2(C)CCOCC2)n1)c1ccccc1.
What is the InChIKey of (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate?
The InChIKey is NEMOPUUTBQFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4/c1-22(11-13-31-14-12-22)33-21(30)24-18-10-6-9-17(23-18)15-32-26-19(16-7-4-3-5-8-16)20-25-27-28-29(20)2/h3-10H,11-15H2,1-2H3,(H,23,24,30).
What are the key properties of (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate?
(4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate has a molecular weight of 451.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl) N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 123423572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).